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cond-mat.mtrl-sci2015★ 127 cited
Accelerated screening of thermoelectric materials by first-principles computations of electron-phonon scattering
Georgy Samsonidze, Boris Kozinsky
Recent discovery of new materials for thermoelectric energy conversion is enabled by efficient prediction of materials' performance from first-principles, without empirically fitte…
cond-mat.mtrl-sci2015
Electron-phonon-averaged approximation for first-principles computations of electron relaxation times and transport properties in semiconductor materials
Georgy Samsonidze, Boris Kozinsky
We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, bas…